octyl aminocrotonate | 27618-18-4

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 脂肪酰基
• 英文名称: octyl aminocrotonate
• 英文别名: Octyl 3-iminobutanoate
• CAS: 27618-18-4
• 化学式: C₁₂H₂₃NO₂
• 分子量: 213.32
• InChiKey: GWIAZKRXIVSVQK-UHFFFAOYSA-N

物化性质

• 沸点：
  317.2±15.0 °C(Predicted)
• 密度：
  0.938±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.4
• 重原子数：
  15
• 可旋转键数：
  10
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.83
• 拓扑面积：
  50.2
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  3-硝基亚苄基乙酰乙酸乙酯 、 octyl aminocrotonate 以 乙醇 为溶剂， 反应 24.0h， 以19.3%的产率得到octyl 2,6-dimethyl-3-carbethoxy-4-(3-nitrophenyl)-1,4-dihydropyridine-5-carboxylate
  参考文献：
  名称：

  Dimeric 1,4-dihydropyridines as calcium channel antagonists

  摘要：

  A series of 1,n-alkanediylbis(1,4-dihydropyridines) (n = 2, 4, 6, 8, 10, 12) bridged at C3 of 2,6-dimethyl-3-carboxy-5-carbethoxy-4-(3-nitrophenyl)-1,4-dihydropyridin e were synthesized and evaluated in a radioligand binding assay, [3H]nitrendipine in intestinal smooth muscle, as Ca2+ channel ligands. Binding activity was comparable to that of nitrendipine itself but independent of chain length, suggesting the lack of a major binding contribution by the second 1,4-dihydropyridine group. Analogues lacking the second 1,4-dihydropyridine nucleus or possessing an inactive function (4-nitrophenyl) were no less active, confirming that this series of ligands likely does not bridge adjacent 1,4-dihydropyridine receptors of the Ca2+ channel.

  DOI：

  10.1021/jm00403a002
• 作为产物：
  描述：

  乙酰乙酸正辛酯 在 氨 作用下， 以 乙醇 为溶剂， 反应 2.0h， 生成 octyl aminocrotonate
  参考文献：
  名称：

  Dimeric 1,4-dihydropyridines as calcium channel antagonists

  摘要：

  A series of 1,n-alkanediylbis(1,4-dihydropyridines) (n = 2, 4, 6, 8, 10, 12) bridged at C3 of 2,6-dimethyl-3-carboxy-5-carbethoxy-4-(3-nitrophenyl)-1,4-dihydropyridin e were synthesized and evaluated in a radioligand binding assay, [3H]nitrendipine in intestinal smooth muscle, as Ca2+ channel ligands. Binding activity was comparable to that of nitrendipine itself but independent of chain length, suggesting the lack of a major binding contribution by the second 1,4-dihydropyridine group. Analogues lacking the second 1,4-dihydropyridine nucleus or possessing an inactive function (4-nitrophenyl) were no less active, confirming that this series of ligands likely does not bridge adjacent 1,4-dihydropyridine receptors of the Ca2+ channel.

  DOI：

  10.1021/jm00403a002

文献信息

• Dimeric 1,4-dihydropyridines as calcium channel antagonists
  作者：Alan F. Joslyn、Elizabeth Luchowski、David J. Triggle

  DOI：10.1021/jm00403a002

  日期：1988.8

  A series of 1,n-alkanediylbis(1,4-dihydropyridines) (n = 2, 4, 6, 8, 10, 12) bridged at C3 of 2,6-dimethyl-3-carboxy-5-carbethoxy-4-(3-nitrophenyl)-1,4-dihydropyridin e were synthesized and evaluated in a radioligand binding assay, [3H]nitrendipine in intestinal smooth muscle, as Ca2+ channel ligands. Binding activity was comparable to that of nitrendipine itself but independent of chain length, suggesting the lack of a major binding contribution by the second 1,4-dihydropyridine group. Analogues lacking the second 1,4-dihydropyridine nucleus or possessing an inactive function (4-nitrophenyl) were no less active, confirming that this series of ligands likely does not bridge adjacent 1,4-dihydropyridine receptors of the Ca2+ channel.